N-(5-chloro-2,2-dimethylpentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine

C14H21ClN4 — CID 106142206

IUPACN-(5-chloro-2,2-dimethylpentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(NCC(C)(C)CCCCl)nccn2n1
InChIInChI=1S/C14H21ClN4/c1-11-9-12-13(16-7-8-19(12)18-11)17-10-14(2,3)5-4-6-15/h7-9H,4-6,10H2,1-3H3,(H,16,17)
InChIKeyJAFANUUNHPUWDP-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.49
Rot. Bonds6

About N-(5-chloro-2,2-dimethylpentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine

N-(5-chloro-2,2-dimethylpentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 106142206) has the molecular formula C14H21ClN4 and a molecular weight of 280.80 g/mol. Its IUPAC name is N-(5-chloro-2,2-dimethylpentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2,2-dimethylpentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID106142206
Molecular FormulaC14H21ClN4
Molecular Weight280.80 g/mol
Exact Mass280.15
IUPAC NameN-(5-chloro-2,2-dimethylpentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(NCC(C)(C)CCCCl)nccn2n1
InChIInChI=1S/C14H21ClN4/c1-11-9-12-13(16-7-8-19(12)18-11)17-10-14(2,3)5-4-6-15/h7-9H,4-6,10H2,1-3H3,(H,16,17)
InChIKeyJAFANUUNHPUWDP-UHFFFAOYSA-N
XLogP3.49
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-3,3-dimethylbutan-2-yl]-3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-6-amine
CID 127033445
N-(3,3-dimethylbutyl)-3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-6-amine
CID 127033447
N-[(2S)-3,3-dimethylbutan-2-yl]-3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-6-amine
CID 127033444
N-Methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 89101960
N-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 118711762
2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridin-3-amine
CID 12288010
2-Methylpyrazolo[1,5-a]pyrazin-4-amine
CID 121598933
1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 39742356
1,3,5-trimethyl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 39742360
1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 39742361
5-ethyl-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 39742364
1,3-dimethyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 39742369

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,2-dimethylpentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(5-chloro-2,2-dimethylpentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine (CID 106142206) is N-(5-chloro-2,2-dimethylpentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(5-chloro-2,2-dimethylpentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(5-chloro-2,2-dimethylpentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine is Cc1cc2c(NCC(C)(C)CCCCl)nccn2n1.
What is the InChIKey of N-(5-chloro-2,2-dimethylpentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is JAFANUUNHPUWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4/c1-11-9-12-13(16-7-8-19(12)18-11)17-10-14(2,3)5-4-6-15/h7-9H,4-6,10H2,1-3H3,(H,16,17).
What are the key properties of N-(5-chloro-2,2-dimethylpentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
N-(5-chloro-2,2-dimethylpentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 280.80 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,2-dimethylpentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 106142206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).